804017

Source:http://linkedlifedata.com/resource/chembl/compound/804017

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C23H29N3O/c1-22-15-25(13-19-9-5-3-6-10-19)17-23(2,21(22)24-27)18-26(16-22)14-20-11-7-4-8-12-20/h3-12,27H,13-18H2,1-2H3
chemicalCompound:standardIn...	NHTUUBFWQICOBQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC12CN(Cc3ccccc3)CC(C)(CN(Cc4ccccc4)C1)C2=NO
chemicalCompound:molecularF...	C23H29N3O
chemicalCompound:moleculeId	804017
chemicalCompound:mwFreebase	363.496
chemicalCompound:alogp	3.932
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	39.07
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.926
chemicalCompound:acdLogP	3.65
chemicalCompound:acdLogD	3.491
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	363.496
chemicalCompound:acdMostBpk...	6.942
chemicalCompound:chemblId	CHEMBL1380133
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:904017
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:3910894, activity:4421703, activity:4559733, activity:4616622, activity:5720442, activity:5887245, activity:6590159, activity:7038069, activity:7159141